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A brief visit to the BeCl2/ZnCl2 system and the prediction of a new polymorph of ZnCl2

  • H. Lars Deubner , Jascha Bandemehr , Antti J. Karttunen and Florian Kraus EMAIL logo
Published/Copyright: April 7, 2020
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Zeitschrift für Naturforschung B
From the journal Zeitschrift für Naturforschung B Volume 75 Issue 5

Abstract

Reactions of zinc chloride with beryllium chloride in the molar ratios of 1:1 and 3:2 at T = 300°C in sealed ampoules lead to the formation of the two compounds Be1−xZnxCl2 (x = 0.563(2) and 0.489(3), respectively). Their composition and crystal structures were evidenced by single crystal X-ray structure analysis. Both compounds crystallize isotypic to β-BeCl2 in the tetragonal space group I41/acd, No. 142, tI96, with a = 10.7548(1), c = 19.4656(5) Å, V = 2251.50(7) Å3, Z = 32 at T = 100 K for the first and a = 10.7511(3), c = 19.2335(10) Å, V = 2223.1(2) Å3, Z = 32 at T = 100 K for the second compound. The positions of the Be atoms are mixed-occupied by Zn atoms. The compounds were additionally characterized by powder X-ray diffraction and infrared spectroscopy. Plots according to Vegard’s law allowed for extrapolation towards a neat ZnCl2 phase that would crystallize in the β-BeCl2 structure, which is the ZnI2 structure type. Quantum chemical calculations have confirmed that such a ZnCl2 modification would represent a true local minimum.

Keywords: beryllium; chloride; crystal structure; zinc

Acknowledgement

We thank the Deutsche Forschungsgemeinschaft for funding and Magnus R. Buchner for the donation of beryllium chloride. Computational resources were provided by CSC, the Finnish IT Center for Science.

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Supplementary Material

The online version of this article offers supplementary material (https://doi.org/10.1515/znb-2020-0023).

Received: 2020-02-01
Accepted: 2020-03-09
Published Online: 2020-04-07
Published in Print: 2020-05-26

©2020 Walter de Gruyter GmbH, Berlin/Boston

Articles in the same Issue

  1. Frontmatter
  2. In this Issue
  3. Preface
  4. Progress in the chemistry and biochemistry of beryllium
  5. Research Articles
  6. Beryllium-associated diseases from a chemist’s point of view
  7. A consistent model for the key complex in chronic beryllium disease
  8. Reviews
  9. The role of beryllium in alloys, Zintl phases and intermetallic compounds
  10. Solid-state Be-9 NMR of beryllium compounds
  11. 9Be nuclear magnetic resonance spectroscopy trends in discrete complexes: an update
  12. Research Articles
  13. Coordination chemistry of Be2+ ions with chelating oxygen donor ligands: further insights using electrospray mass spectrometry
  14. Formation of amidoberyllates from beryllium and alkali metals in liquid ammonia
  15. A brief visit to the BeCl2/ZnCl2 system and the prediction of a new polymorph of ZnCl2
  16. Crystallographic study of a heteroleptic chloroberyllium borohydride carbodicarbene complex
  17. Hungry for charge – how a beryllium scorpionate complex “eats” a weakly coordinating anion
  18. Synthesis and crystal structures of β-[Be(DMF)4]I2, [Be(Pyr)4]I2, [Be(NMP)4]I2 and [BeI2(Lut)2]
https://doi.org/10.1515/znb-2020-0023
Keywords for this article
beryllium; chloride; crystal structure; zinc

Articles in the same Issue

  1. Frontmatter
  2. In this Issue
  3. Preface
  4. Progress in the chemistry and biochemistry of beryllium
  5. Research Articles
  6. Beryllium-associated diseases from a chemist’s point of view
  7. A consistent model for the key complex in chronic beryllium disease
  8. Reviews
  9. The role of beryllium in alloys, Zintl phases and intermetallic compounds
  10. Solid-state Be-9 NMR of beryllium compounds
  11. 9Be nuclear magnetic resonance spectroscopy trends in discrete complexes: an update
  12. Research Articles
  13. Coordination chemistry of Be2+ ions with chelating oxygen donor ligands: further insights using electrospray mass spectrometry
  14. Formation of amidoberyllates from beryllium and alkali metals in liquid ammonia
  15. A brief visit to the BeCl2/ZnCl2 system and the prediction of a new polymorph of ZnCl2
  16. Crystallographic study of a heteroleptic chloroberyllium borohydride carbodicarbene complex
  17. Hungry for charge – how a beryllium scorpionate complex “eats” a weakly coordinating anion
  18. Synthesis and crystal structures of β-[Be(DMF)4]I2, [Be(Pyr)4]I2, [Be(NMP)4]I2 and [BeI2(Lut)2]
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